SCHEMBL9064453

SCHEMBL9064453

CC1CC=CC(C(=O)O)C1C(=O)O.O=C(O)C1C=CCCC1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL127482 0.85 POLB (0.43) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL7158930 0.84 GRM4 (0.36) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL5585363 0.82 MAPT (0.37) POLBTDP1ALDH1A1LMNAAPEX1
SCHEMBL22390581 0.82 MAPT (0.37) POLBTDP1ALDH1A1LMNAAPEX1
SCHEMBL27341 0.82 MAPT (0.37) POLBTDP1ALDH1A1LMNAAPEX1
Acetic Acid SCHEMBL122299 0.80 MAPT (0.41) POLBTDP1APEX1MAPTMEN1
Iodide SCHEMBL8077383 0.80 MAPT (0.36) POLBTDP1ALDH1A1APEX1MAPT
SCHEMBL9796698 0.80 MAPT (0.36) POLBTDP1ALDH1A1APEX1MAPT
Bromide SCHEMBL7615302 0.80 MAPT (0.36) POLBTDP1ALDH1A1APEX1MAPT
SCHEMBL16207394 0.80 MAPT (0.36) POLBTDP1ALDH1A1APEX1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510428-A Compositions, epoxized compositions, a heat curable resin composition, an epoxy resin composition, radically polymerized compositions, a curable resin composition and a polymer having epoxy groups DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-23 US disclosed